Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 1
Ligand
BDBM50098631
Substrate
n/a
Meas. Tech.
ChEMBL_218695 (CHEMBL821481)
IC50
>10000±n/a nM
Citation
 Naya, A; Sagara, Y; Ohwaki, K; Saeki, T; Ichikawa, D; Iwasawa, Y; Noguchi, K; Ohtake, N Design, synthesis, and discovery of a novel CCR1 antagonist. J Med Chem 44:1429-35 (2001) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 1
Synonyms:
C-C CKR-1 | CC-CKR-1 | CCR-1 | CCR1_MOUSE | CD_antigen=CD191 | Ccr1 | Cmkbr1 | MIP-1alpha-R | Macrophage inflammatory protein 1-alpha receptor | RANTES-R
Type:
PROTEIN
Mol. Mass.:
40904.59
Organism:
Mus musculus
Description:
ChEMBL_1452291
Residue:
355
Sequence:
MEISDFTEAYPTTTEFDYGDSTPCQKTAVRAFGAGLLPPLYSLVFIIGVVGNVLVILVLMQHRRLQSMTSIYLFNLAVSDLVFLFTLPFWIDYKLKDDWIFGDAMCKLLSGFYYLGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGIITSIITWALAILASMPALYFFKAQWEFTHRTCSPHFPYKSLKQWKRFQALKLNLLGLILPLLVMIICYAGIIRILLRRPSEKKVKAVRLIFAITLLFFLLWTPYNLSVFVSAFQDVLFTNQCEQSKQLDLAMQVTEVIAYTHCCVNPIIYVFVGERFWKYLRQLFQRHVAIPLAKWLPFLSVDQLERTSSISPSTGEHELSAGF
  
Inhibitor
Name:
BDBM50098631
Synonyms:
1-Cyclooctylmethyl-4-(2-hydroxy-2,2-diphenyl-acetylamino)-1-methyl-piperidinium; iodide | CHEMBL433232
Type:
Small organic molecule
Emp. Form.:
C29H41N2O2
Mol. Mass.:
449.6475
SMILES:
C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C(O)(c1ccccc1)c1ccccc1 |(9.05,-12.4,;9.04,-14,;10.36,-14.83,;11.92,-14.14,;11.32,-12.73,;11.92,-11.31,;13.34,-10.71,;14.75,-11.29,;15.36,-12.73,;14.77,-14.14,;13.34,-14.74,;9.05,-15.6,;7.7,-16.37,;6.35,-15.6,;6.35,-14.07,;7.67,-13.31,;5.04,-16.37,;3.72,-15.6,;3.7,-14.07,;2.38,-16.37,;2.37,-14.81,;2.38,-17.91,;3.7,-18.69,;3.7,-20.22,;2.35,-20.96,;1.03,-20.2,;1.04,-18.68,;1.06,-15.6,;1.06,-14.07,;-.28,-13.3,;-1.62,-14.07,;-1.6,-15.61,;-.29,-16.37,)|
Structure:
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